2-cyano-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanimidamide

Formula:C12H12N4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-cyano-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanimidamide is a drug-like molecule.

MolName	2-cyano-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanimidamide
MolecularFormula	C12H12N4S
Smiles	N/C(/CC#N)=N\c(sc1c2CCCC1)c2C#N
InChI	InChI=1S/C12H12N4S/c13-6-5-11(15)16-12-9(7-14)8-3-1-2-4-10(8)17-12/h1-5H2,(H2,15,16)
InChIK	MAMGCGORUUCPQY-UHFFFAOYSA-N
TotalMolweight	244.321
Molweight	244.321
MonoisotopicMass	244.078266
CLogP	1.4922
CLogS	-4.196
H Acceptors	4
H Donors	1
TotalSurfaceArea	199.41
Relative PSA	0.3724
PolarSurfaceArea	114.2
Druglikeness	-10.542
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	5
BasicNitrogens	1
StereoCon

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